(4S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide

C20H22N4O3S — CID 95378663

IUPAC(4S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1noc(C)c1[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H22N4O3S/c1-11(18-12(2)23-27-13(18)3)22-19(25)17-9-28-10-24(17)20(26)15-8-21-16-7-5-4-6-14(15)16/h4-8,11,17,21H,9-10H2,1-3H3,(H,22,25)/t11-,17+/m0/s1
InChIKeyQUHOXNWQIIFNFQ-APPDUMDISA-N
MW398.49 g/mol
LogP3.17
Rot. Bonds4

About (4S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide

(4S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95378663) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is (4S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95378663
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name(4S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1noc(C)c1[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H22N4O3S/c1-11(18-12(2)23-27-13(18)3)22-19(25)17-9-28-10-24(17)20(26)15-8-21-16-7-5-4-6-14(15)16/h4-8,11,17,21H,9-10H2,1-3H3,(H,22,25)/t11-,17+/m0/s1
InChIKeyQUHOXNWQIIFNFQ-APPDUMDISA-N
XLogP3.17
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237232
(4R)-N-[(2R)-1-[butyl(methyl)amino]propan-2-yl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 124742587
(4S)-N-cycloheptyl-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 94666381
(4R)-3-(1H-indole-3-carbonyl)-N-(1H-indol-4-yl)-1,3-thiazolidine-4-carboxamide
CID 97232814
4-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]-methylamino]butanoic acid
CID 119173088
[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]-[(4R)-3-(1H-indole-3-carbonyl)-1,3-thiazolidin-4-yl]methanone
CID 95781331
(4R)-3-(1H-indole-3-carbonyl)-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 52504300
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563211
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]azetidine-3-carboxamide
CID 79236864
3-(furan-2-carbonyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 4030871
3-acetyl-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 47080821
3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43209975

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 95378663) is (4S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide is Cc1noc(C)c1[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of (4S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is QUHOXNWQIIFNFQ-APPDUMDISA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-11(18-12(2)23-27-13(18)3)22-19(25)17-9-28-10-24(17)20(26)15-8-21-16-7-5-4-6-14(15)16/h4-8,11,17,21H,9-10H2,1-3H3,(H,22,25)/t11-,17+/m0/s1.
What are the key properties of (4S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95378663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).